SCHEMBL5453846

SCHEMBL5453846

S=C(NCc1ccccc1)Nc1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
ALOX12 P18054 4/20 0.73
RAB9A P51151 2/20 0.73
KDM4E B2RXH2 2/20 0.63
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
HPGD P15428 1/20 0.59
POLB P06746 2/20 0.58
GAA P10253 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58
FABP1 P07148 1/20 0.57
FABP6 P51161 1/20 0.57
CA9 Q16790 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
ACHE P22303 1/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4890714 0.84 ALDH1A1 (0.54) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL29352156 0.84 ALDH1A1 (1.00) ALDH1A1ALOX12RAB9AKDM4EMAOA
SCHEMBL6952754 0.84 ALDH1A1 (1.00) ALDH1A1ALOX12RAB9AKDM4EMAOA
SCHEMBL14302228 0.81 NAMPT (0.62) ALDH1A1RAB9AGAAFABP1FABP6
SCHEMBL2682040 0.80 RAB9A (0.71) ALDH1A1ALOX12RAB9AKDM4EHPGD
SCHEMBL31349697 0.80 ALDH1A1 (0.66) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL31349696 0.80 ALDH1A1 (0.66) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL14093828 0.80 ALDH1A1 (0.66) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL11839412 0.79 ALDH1A1 (0.70) ALDH1A1ALOX12RAB9AKDM4EHPGD
Hydrochloric Acid SCHEMBL11837771 0.77 ALDH1A1 (0.68) ALDH1A1ALOX12RAB9AKDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed